5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile

C29H25N5O3 — CID 121394791

IUPAC5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)c1
InChIInChI=1S/C29H25N5O3/c30-15-19-10-20(17-31-16-19)18-32-23-4-5-27-22(12-23)11-21-2-1-3-25(29(21)37-27)26-13-24(14-28(35)33-26)34-6-8-36-9-7-34/h1-5,10,12-14,16-17,32H,6-9,11,18H2,(H,33,35)
InChIKeyCJRNNJSHHAKDQG-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.45
Rot. Bonds5

About 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile

5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile (PubChem CID 121394791) has the molecular formula C29H25N5O3 and a molecular weight of 491.55 g/mol. Its IUPAC name is 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile
PubChem CID121394791
Molecular FormulaC29H25N5O3
Molecular Weight491.55 g/mol
Exact Mass491.20
IUPAC Name5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)c1
InChIInChI=1S/C29H25N5O3/c30-15-19-10-20(17-31-16-19)18-32-23-4-5-27-22(12-23)11-21-2-1-3-25(29(21)37-27)26-13-24(14-28(35)33-26)34-6-8-36-9-7-34/h1-5,10,12-14,16-17,32H,6-9,11,18H2,(H,33,35)
InChIKeyCJRNNJSHHAKDQG-UHFFFAOYSA-N
XLogP4.45
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394374
4-morpholin-4-yl-6-[7-[[5-(propan-2-ylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467887
6-[7-[(5-cyclopent-2-en-1-yl-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121467604
6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121395163
6-[7-[(6-chloro-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468024
6-[7-[[6-(methylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393969
6-[7-[(5-methyl-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394784
4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394561
6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394781
4-morpholin-4-yl-6-[7-[[1-(pyridin-3-ylmethyl)azetidin-3-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395222
6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394968
4-morpholin-4-yl-6-[7-[(1-pyridin-3-ylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395298

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile (CID 121394791) is 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile is N#Cc1cncc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)c1.
What is the InChIKey of 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile?
The InChIKey is CJRNNJSHHAKDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O3/c30-15-19-10-20(17-31-16-19)18-32-23-4-5-27-22(12-23)11-21-2-1-3-25(29(21)37-27)26-13-24(14-28(35)33-26)34-6-8-36-9-7-34/h1-5,10,12-14,16-17,32H,6-9,11,18H2,(H,33,35).
What are the key properties of 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile?
5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile has a molecular weight of 491.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 121394791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).